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162516-41-8 | Benzene, 1-(2-chloroethyl)-4-(1,1-dimethylethoxy)-
CAS No: 162516-41-8 Catalog No: AG001T80 MDL No:
Product Description
Catalog Number:
AG001T80
Chemical Name:
Benzene, 1-(2-chloroethyl)-4-(1,1-dimethylethoxy)-
CAS Number:
162516-41-8
Molecular Formula:
C12H17ClO
Molecular Weight:
212.7158
IUPAC Name:
1-(2-chloroethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
InChI:
InChI=1S/C12H17ClO/c1-12(2,3)14-11-6-4-10(5-7-11)8-9-13/h4-7H,8-9H2,1-3H3
InChI Key:
SEUTWXVPPYCPOQ-UHFFFAOYSA-N
SMILES:
ClCCc1ccc(cc1)OC(C)(C)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.097g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.717g/mol
Monoisotopic Mass:
212.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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